ethyl 2-propyl-1H-imidazole-5-carboxylate

C9H14N2O2 — CID 10607505

IUPACethyl 2-propyl-1H-imidazole-5-carboxylate
SMILESCCCc1ncc(C(=O)OCC)[nH]1
InChIInChI=1S/C9H14N2O2/c1-3-5-8-10-6-7(11-8)9(12)13-4-2/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyAMEKVNNTFGYYTQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.54
Rot. Bonds4

About ethyl 2-propyl-1H-imidazole-5-carboxylate

ethyl 2-propyl-1H-imidazole-5-carboxylate (PubChem CID 10607505) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl 2-propyl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-propyl-1H-imidazole-5-carboxylate
PubChem CID10607505
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Nameethyl 2-propyl-1H-imidazole-5-carboxylate
SMILESCCCc1ncc(C(=O)OCC)[nH]1
InChIInChI=1S/C9H14N2O2/c1-3-5-8-10-6-7(11-8)9(12)13-4-2/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyAMEKVNNTFGYYTQ-UHFFFAOYSA-N
XLogP1.54
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate
CID 12901694
ethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate
CID 142922721
ethyl 2-sulfamoyl-1H-imidazole-5-carboxylate
CID 58344441
2-pentyl-1H-imidazole-5-carboxamide
CID 68638912
methyl 2-(propoxymethyl)-1H-imidazole-5-carboxylate
CID 62250995
ethoxycarbonyloxymethyl 2-methyl-1H-imidazole-5-carboxylate
CID 140986340
[2-(azepan-1-yl)-2-oxoethyl] 2-ethyl-1H-imidazole-5-carboxylate
CID 75395343
ethyl 2-(3,5-dimethyl-2-pyridinyl)-1H-imidazole-5-carboxylate
CID 156748397
[(E)-1,3-dichloro-3-(5-ethoxycarbonyl-1H-imidazol-2-yl)prop-2-enylidene]azanium
CID 164979348
ethyl 2-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]-1H-imidazole-5-carboxylate
CID 126508949
diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate;hydrochloride
CID 67024452
ethyl 2-(4-bromo-2-fluorophenyl)-1H-imidazole-5-carboxylate
CID 85472879

Frequently Asked Questions

What is the IUPAC name of ethyl 2-propyl-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 2-propyl-1H-imidazole-5-carboxylate (CID 10607505) is ethyl 2-propyl-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-propyl-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 2-propyl-1H-imidazole-5-carboxylate is CCCc1ncc(C(=O)OCC)[nH]1.
What is the InChIKey of ethyl 2-propyl-1H-imidazole-5-carboxylate?
The InChIKey is AMEKVNNTFGYYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-5-8-10-6-7(11-8)9(12)13-4-2/h6H,3-5H2,1-2H3,(H,10,11).
What are the key properties of ethyl 2-propyl-1H-imidazole-5-carboxylate?
ethyl 2-propyl-1H-imidazole-5-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propyl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 10607505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).